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{
"id": "jvasp-36653",
"created_at": "2022-09-04T14:37:29.188504Z",
"updated_at": "2022-09-04T14:37:29.188523Z",
"structure_string": "Ir1 C1\n1.0\n2.737731 -0.000000 -0.000000\n-0.000000 2.737731 -0.000000\n0.000000 -0.000000 2.737731\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 C\n",
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{
"id": "jvasp-78453",
"created_at": "2022-09-04T14:36:31.791304Z",
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"structure_string": "Ir1 C1\n1.0\n-2.208957 -2.208956 0.000000\n-2.208956 -0.000000 -2.208956\n-0.000000 -2.208956 -2.208956\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
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{
"id": "jvasp-93815",
"created_at": "2022-09-04T14:36:34.878223Z",
"updated_at": "2022-09-04T14:36:34.878244Z",
"structure_string": "Ir2 C4\n1.0\n-2.287089 -2.287089 2.634329\n-2.287089 2.287089 -2.634329\n2.287089 -2.287089 -2.634329\nIr C\n2 4\ndirect\n0.000000 0.750000 0.750000 Ir\n0.000000 0.250000 0.250000 Ir\n0.276724 0.888363 0.388363 C\n0.723276 0.111638 0.611638 C\n0.500000 0.611638 0.888363 C\n0.500000 0.388363 0.111638 C\n",
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"elements": [
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"volume": 55.11834062689125,
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"formula_full": "Ir2 C4",
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"spacegroup": 140
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{
"id": "jvasp-3792",
"created_at": "2022-09-04T14:36:20.755375Z",
"updated_at": "2022-09-04T14:36:20.755396Z",
"structure_string": "Ir2 Br6\n1.0\n6.083443 -0.000000 2.029656\n3.041722 5.557939 1.014828\n0.007808 -0.000000 6.331243\nIr Br\n2 6\ndirect\n0.833415 0.333169 0.000001 Ir\n0.166584 0.666831 0.000000 Ir\n0.572509 0.349133 0.767469 Br\n0.078358 0.349133 0.232532 Br\n0.776379 0.000000 0.234549 Br\n0.223621 0.000000 0.765451 Br\n0.921642 0.650868 0.767469 Br\n0.427490 0.650868 0.232532 Br\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Br-Ir",
"density": 6.703752706249051,
"density_atomic": 0.03738664681576282,
"volume": 213.98014214602068,
"volume_molar": 16.107731698101812,
"formula_full": "Ir2 Br6",
"formula_reduced": "IrBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.01720085375,
"spacegroup": 12
},
{
"id": "jvasp-17671",
"created_at": "2022-09-04T14:38:17.054396Z",
"updated_at": "2022-09-04T14:38:17.054420Z",
"structure_string": "In4 Te4\n1.0\n6.795517 0.008793 -1.861781\n-3.953000 5.527470 -1.861781\n-0.004515 -0.008793 7.045940\nIn Te\n4 4\ndirect\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.683578 0.183579 0.867157 Te\n0.183578 0.316422 0.500000 Te\n0.816421 0.683578 0.500000 Te\n0.316421 0.816421 0.132843 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "In-Te",
"density": 6.083438183634782,
"density_atomic": 0.030224918165538673,
"volume": 264.682271633784,
"volume_molar": 19.92442370569003,
"formula_full": "In4 Te4",
"formula_reduced": "InTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0043399999999999,
"spacegroup": 140
},
{
"id": "jvasp-15070",
"created_at": "2022-09-04T14:36:53.685587Z",
"updated_at": "2022-09-04T14:36:53.685597Z",
"structure_string": "In1 Te1\n1.0\n3.898653 0.000000 0.000000\n-0.000000 3.898653 -0.000000\n-0.000000 -0.000000 3.898653\nIn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "In-Te",
"density": 6.793134507072374,
"density_atomic": 0.033750969166761874,
"volume": 59.25755761614129,
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"formula_full": "In1 Te1",
"formula_reduced": "InTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1042299999999999,
"spacegroup": 221
},
{
"id": "jvasp-29721",
"created_at": "2022-09-04T14:38:04.266180Z",
"updated_at": "2022-09-04T14:38:04.266190Z",
"structure_string": "In4 Te10\n1.0\n4.371905 -0.000098 0.067668\n2.185832 8.359422 0.033812\n-0.191600 0.000006 13.670132\nIn Te\n4 10\ndirect\n0.610592 0.769177 0.312562 In\n0.992960 0.005869 0.140338 In\n0.379485 0.230844 0.812557 In\n-0.001239 0.994110 0.640346 In\n0.301026 0.387749 0.232962 Te\n0.392490 0.207350 0.599081 Te\n0.688591 0.612258 0.732971 Te\n0.159769 0.677022 0.578735 Te\n0.225400 0.542721 0.884663 Te\n0.004225 0.981904 0.354363 Te\n0.985851 0.018100 0.854364 Te\n0.836905 0.322964 0.078724 Te\n0.768239 0.457288 0.384657 Te\n0.599894 0.792643 0.099078 Te\n",
"nsites": 14,
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"elements": [
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"chemical_system": "In-Te",
"density": 5.766339814171317,
"density_atomic": 0.028016353666805743,
"volume": 499.70814069881766,
"volume_molar": 21.495091158615466,
"formula_full": "In4 Te10",
"formula_reduced": "In2Te5",
"formula_anonymous": "A2B5",
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"spacegroup": 36
},
{
"id": "jvasp-92280",
"created_at": "2022-09-04T14:36:06.587741Z",
"updated_at": "2022-09-04T14:36:06.587770Z",
"structure_string": "In2 Te3\n1.0\n-2.171997 -3.762009 0.000000\n2.171997 -3.762009 0.000000\n0.000000 -2.508005 9.645483\nIn Te\n2 3\ndirect\n0.400859 0.400859 0.797425 In\n0.599142 0.599142 0.202575 In\n0.786804 0.786804 0.639589 Te\n0.213197 0.213197 0.360411 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 5,
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"elements": [
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"chemical_system": "In-Te",
"density": 6.451738879736063,
"density_atomic": 0.03172027746079766,
"volume": 157.62787718926424,
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"formula_full": "In2 Te3",
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"formula_anonymous": "A2B3",
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"spacegroup": 166
},
{
"id": "jvasp-14973",
"created_at": "2022-09-04T14:36:07.600955Z",
"updated_at": "2022-09-04T14:36:07.600978Z",
"structure_string": "In1 Te1\n1.0\n3.851023 -0.000000 2.223388\n1.283674 3.630779 2.223388\n-0.000000 -0.000000 4.446778\nIn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500001 Te\n",
"nsites": 2,
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"elements": [
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"density": 6.474296514997109,
"density_atomic": 0.03216685637928194,
"volume": 62.17579910258691,
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"formula_full": "In1 Te1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102341",
"created_at": "2022-09-04T14:36:52.310002Z",
"updated_at": "2022-09-04T14:36:52.310037Z",
"structure_string": "In2 Te3\n1.0\n4.507653 0.000000 0.000000\n-2.253827 3.903741 0.000000\n-0.000000 -0.000000 10.827854\nIn Te\n2 3\ndirect\n0.000000 0.000000 0.971754 In\n0.666666 0.333333 0.381262 In\n0.000000 0.000000 0.249781 Te\n0.666666 0.333333 0.631034 Te\n0.333333 0.666666 0.849501 Te\n",
"nsites": 5,
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"elements": [
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"chemical_system": "In-Te",
"density": 5.337476120039635,
"density_atomic": 0.026241952227763623,
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"formula_full": "In2 Te3",
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},
{
"id": "jvasp-37989",
"created_at": "2022-09-04T14:38:06.873597Z",
"updated_at": "2022-09-04T14:38:06.873622Z",
"structure_string": "In1 Tc3\n1.0\n-1.921593 1.921593 4.281917\n1.921593 -1.921593 4.281917\n1.921593 1.921593 -4.281917\nIn Tc\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.749998 0.250001 0.499997 Tc\n0.250001 0.749998 0.499997 Tc\n0.500000 0.500000 0.000000 Tc\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.733912596958618,
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"volume": 63.24425077968574,
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"formula_full": "In1 Tc3",
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"spacegroup": 139
},
{
"id": "jvasp-100982",
"created_at": "2022-09-04T14:36:46.333512Z",
"updated_at": "2022-09-04T14:36:46.333527Z",
"structure_string": "In2 Sn6\n1.0\n6.756037 0.000000 0.000000\n-3.378018 5.850900 0.000000\n0.000000 0.000000 5.658944\nIn Sn\n2 6\ndirect\n0.333333 0.666667 0.749999 In\n0.666667 0.333333 0.250000 In\n0.164772 0.329543 0.250000 Sn\n0.670458 0.835228 0.250000 Sn\n0.164772 0.835228 0.250000 Sn\n0.835228 0.670458 0.749999 Sn\n0.329543 0.164772 0.749999 Sn\n0.835229 0.164772 0.749999 Sn\n",
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"density": 6.992008682814138,
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"formula_full": "In2 Sn6",
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"spacegroup": 194
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}